Molecule

ID:70623

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H9NO.ClH/c11-10-8-4-2-1-3-7(8)5-6-9(10)12;/h1-6,12H,11H2;1H
InChIKey
DEKREBCFNLUULC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1N)cccc2.Cl
Isomeric Smiles
c1(c(ccc2ccccc12)O)N.Cl
Calculated Properties
JChem
Acid pKa
10.127268
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8109019
LogD (pH = 7.4)
1.8291221
Log P
1.8302313
Molar Refractivity
49.1895
Polarizability
19.637577
Polar Surface Area
46.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation